3-[2-(3-cyclopentylpropanoylamino)ethylsulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoic acid

Systemtic Name: 3-[2-(3-cyclopentylpropanoylamino)ethylsulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoic acid Openeye Name: 3-[2-(3-cyclopentylpropanoylamino)ethylsulfanylmethyl]-4-oxo-4-(3-pyridyl)butanoic acid CAS Name: 3-[[2-[(3-cyclopentyl-1-oxopropyl)amino]ethylthio]methyl]-4-oxo-4-(3-pyridinyl)butanoic acid IUPAC Name: 3-[2-(3-cyclopentylpropanoylamino)ethylsulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoic acid Traditional Name: 3-[[2-(3-cyclopentylpropanoylamino)ethylthio]methyl]-4-keto-4-(3-pyridyl)butyric acid Formula: C20H28N2O4S MolecularWeight: 392.51232

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)NCCSCC(CC(=O)O)C(=O)C2=CN=CC=C2

Isomeric SMILES

C1CCC(C1)CCC(=O)NCCSCC(CC(=O)O)C(=O)C2=CN=CC=C2

InChI

InChI=1S/C20H28N2O4S/c23-18(8-7-15-4-1-2-5-15)22-10-11-27-14-17(12-19(24)25)20(26)16-6-3-9-21-13-16/h3,6,9,13,15,17H,1-2,4-5,7-8,10-12,14H2,(H,22,23)(H,24,25)